0 mol 1 unq 0 iso 0 dist 9.44115 9.99706 7.90928 6.44928 8.56884 6.35409 5.21705 5.96833 5.06184 4.50502 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 7.90928 9.99706 9.44115 6.35409 8.56884 6.44928 5.06184 5.96833 5.21705 4.50502 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.77049 5.16141 6.95341 11.3797 6.33889 11.7623 9.99243 9.81658 12.0088 5.84314 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 6.95341 5.16141 8.77049 11.7623 6.33889 11.3797 12.0088 9.81658 9.99243 5.84314 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 8.17564 3.8971 7.19213 10.6918 6.23899 7.5168 10.8351 8.67634 8.08163 4.53828 numMergedOcc 0
5 mol 59 unq 0 iso 1 dist 7.19213 3.8971 8.17564 7.5168 6.23899 10.6918 8.08163 8.67634 10.8351 4.53828 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 8.17564 14.4502 6.94351 10.6918 6.23899 9.2891 10.8351 8.67634 10.8454 4.53828 numMergedOcc 0
7 mol 59 unq 1 iso 1 dist 6.94351 14.4502 8.17564 9.2891 6.23899 10.6918 10.8454 8.67634 10.8351 4.53828 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 7.19213 13.5267 6.94351 7.5168 6.23899 9.2891 8.08163 8.67634 10.8454 4.53828 numMergedOcc 0
9 mol 59 unq 1 iso 1 dist 6.94351 13.5267 7.19213 9.2891 6.23899 7.5168 10.8454 8.67634 8.08163 4.53828 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 9.15288 10.0477 9.4909 6.38702 8.30646 8.66126 7.72904 5.47706 11.0011 4.77202 numMergedOcc 0
11 mol 78 unq 0 iso 1 dist 9.4909 10.0477 9.15288 8.66126 8.30646 6.38702 11.0011 5.47706 7.72904 4.77202 numMergedOcc 0
12 mol 78 unq 1 iso 0 dist 9.15288 10.0477 9.4909 6.38702 8.30646 8.66126 13.6432 8.89842 10.0477 8.12982 numMergedOcc 0
13 mol 78 unq 1 iso 1 dist 9.4909 10.0477 9.15288 8.66126 8.30646 6.38702 10.0477 8.89842 13.6432 8.12982 numMergedOcc 0
14 mol 78 unq 2 iso 0 dist 9.15288 10.0477 9.4909 6.38702 8.30646 8.66126 9.64221 8.07568 16.0481 11.8801 numMergedOcc 0
15 mol 78 unq 2 iso 1 dist 9.4909 10.0477 9.15288 8.66126 8.30646 6.38702 16.0481 8.07568 9.64221 11.8801 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 8.95838 15.0412 9.47892 7.38295 7.39889 9.58951 5.99531 6.55202 13.9667 6.30721 numMergedOcc 0
17 mol 119 unq 0 iso 1 dist 9.47892 15.0412 8.95838 9.58951 7.39889 7.38295 13.9667 6.55202 5.99531 6.30721 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 8.95838 15.0412 9.47892 7.38295 7.39889 9.58951 11.2265 9.08536 15.453 14.443 numMergedOcc 0
19 mol 119 unq 1 iso 1 dist 9.47892 15.0412 8.95838 9.58951 7.39889 7.38295 15.453 9.08536 11.2265 14.443 numMergedOcc 0
20 mol 119 unq 2 iso 0 dist 8.95838 15.0412 9.47892 5.85391 9.63176 18.2257 5.99531 6.55202 13.9667 6.9194 numMergedOcc 0
21 mol 119 unq 2 iso 1 dist 9.47892 15.0412 8.95838 18.2257 9.63176 5.85391 13.9667 6.55202 5.99531 6.9194 numMergedOcc 0
22 mol 119 unq 3 iso 0 dist 8.95838 15.0412 9.47892 5.85391 9.63176 18.2257 11.2265 9.08536 15.453 9.68677 numMergedOcc 0
23 mol 119 unq 3 iso 1 dist 9.47892 15.0412 8.95838 18.2257 9.63176 5.85391 15.453 9.08536 11.2265 9.68677 numMergedOcc 0
24 mol 119 unq 4 iso 0 dist 8.95838 15.0412 9.47892 11.0075 7.44174 9.93013 5.99531 6.55202 13.9667 12.4621 numMergedOcc 0
25 mol 119 unq 4 iso 1 dist 9.47892 15.0412 8.95838 9.93013 7.44174 11.0075 13.9667 6.55202 5.99531 12.4621 numMergedOcc 0
26 mol 119 unq 5 iso 0 dist 8.95838 15.0412 9.47892 11.0075 7.44174 9.93013 11.2265 9.08536 15.453 6.20019 numMergedOcc 0
27 mol 119 unq 5 iso 1 dist 9.47892 15.0412 8.95838 9.93013 7.44174 11.0075 15.453 9.08536 11.2265 6.20019 numMergedOcc 0
28 mol 143 unq 0 iso 0 dist 9.43335 15.2469 9.9492 5.69675 7.31468 9.79072 5.36037 7.05845 15.3503 7.63293 numMergedOcc 0
29 mol 143 unq 0 iso 1 dist 9.9492 15.2469 9.43335 9.79072 7.31468 5.69675 15.3503 7.05845 5.36037 7.63293 numMergedOcc 0
30 mol 143 unq 1 iso 0 dist 9.43335 15.2469 9.9492 10.5005 7.7056 5.80488 5.36037 7.05845 15.3503 11.903 numMergedOcc 0
31 mol 143 unq 1 iso 1 dist 9.9492 15.2469 9.43335 5.80488 7.7056 10.5005 15.3503 7.05845 5.36037 11.903 numMergedOcc 0
32 mol 155 unq 0 iso 0 dist 8.02593 9.95765 8.77391 5.01007 7.39644 12.7814 5.05961 5.36254 5.68679 7.10286 numMergedOcc 0
33 mol 155 unq 0 iso 1 dist 8.77391 9.95765 8.02593 12.7814 7.39644 5.01007 5.68679 5.36254 5.05961 7.10286 numMergedOcc 0
34 mol 155 unq 1 iso 0 dist 8.02593 9.95765 8.77391 9.80448 7.36102 4.94973 5.05961 5.36254 5.68679 4.91785 numMergedOcc 0
35 mol 155 unq 1 iso 1 dist 8.77391 9.95765 8.02593 4.94973 7.36102 9.80448 5.68679 5.36254 5.05961 4.91785 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 6.17129 6.7732 5.83596 4.3158 4.93785 4.3226 7.19461 9.09234 11.195 6.8757 numMergedOcc 0
37 mol 181 unq 0 iso 1 dist 5.83596 6.7732 6.17129 4.3226 4.93785 4.3158 11.195 9.09234 7.19461 6.8757 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 6.17129 6.7732 5.83596 4.3158 4.93785 4.3226 9.77747 6.76746 4.76079 5.71898 numMergedOcc 0
39 mol 181 unq 1 iso 1 dist 5.83596 6.7732 6.17129 4.3226 4.93785 4.3158 4.76079 6.76746 9.77747 5.71898 numMergedOcc 0
40 mol 181 unq 2 iso 0 dist 6.17129 6.7732 5.83596 4.3158 4.93785 4.3226 10.0615 8.92098 6.38851 5.83796 numMergedOcc 0
41 mol 181 unq 2 iso 1 dist 5.83596 6.7732 6.17129 4.3226 4.93785 4.3158 6.38851 8.92098 10.0615 5.83796 numMergedOcc 0
42 mol 197 unq 0 iso 0 dist 8.32685 5.3979 6.74777 10.5326 8.99696 5.29309 15.7632 9.27218 15.6628 17.0276 numMergedOcc 0
43 mol 197 unq 0 iso 1 dist 6.74777 5.3979 8.32685 5.29309 8.99696 10.5326 15.6628 9.27218 15.7632 17.0276 numMergedOcc 0
44 mol 197 unq 1 iso 0 dist 8.32685 9.51831 9.62514 10.5326 8.99696 4.57437 15.7632 9.27218 18.7224 17.0276 numMergedOcc 0
45 mol 197 unq 1 iso 1 dist 9.62514 9.51831 8.32685 4.57437 8.99696 10.5326 18.7224 9.27218 15.7632 17.0276 numMergedOcc 0
46 mol 197 unq 1 iso 0 dist 6.74777 4.66266 9.62514 5.29309 8.99696 4.57437 15.6628 9.27218 18.7224 17.0276 numMergedOcc 0
47 mol 197 unq 1 iso 1 dist 9.62514 4.66266 6.74777 4.57437 8.99696 5.29309 18.7224 9.27218 15.6628 17.0276 numMergedOcc 0
48 mol 238 unq 0 iso 0 dist 9.94175 13.7433 8.81534 13.8985 5.38637 5.33567 10.2069 9.38131 16.1646 13.378 numMergedOcc 0
49 mol 238 unq 0 iso 1 dist 8.81534 13.7433 9.94175 5.33567 5.38637 13.8985 16.1646 9.38131 10.2069 13.378 numMergedOcc 0
50 mol 238 unq 1 iso 0 dist 9.94175 13.7433 8.81534 14.9782 6.55759 9.85437 10.2069 9.38131 16.1646 10.4966 numMergedOcc 0
51 mol 238 unq 1 iso 1 dist 8.81534 13.7433 9.94175 9.85437 6.55759 14.9782 16.1646 9.38131 10.2069 10.4966 numMergedOcc 0
52 mol 282 unq 0 iso 0 dist 9.20119 12.2772 8.96997 12.5533 6.85028 4.64783 10.9015 7.52924 7.77671 4.57104 numMergedOcc 0
53 mol 282 unq 0 iso 1 dist 8.96997 12.2772 9.20119 4.64783 6.85028 12.5533 7.77671 7.52924 10.9015 4.57104 numMergedOcc 0
54 mol 282 unq 1 iso 0 dist 9.20119 12.2772 8.96997 14.3567 7.32347 10.0286 10.9015 7.52924 7.77671 5.29852 numMergedOcc 0
55 mol 282 unq 1 iso 1 dist 8.96997 12.2772 9.20119 10.0286 7.32347 14.3567 7.77671 7.52924 10.9015 5.29852 numMergedOcc 0
56 mol 282 unq 2 iso 0 dist 9.20119 12.2772 8.96997 6.32603 8.3411 7.65702 10.9015 7.52924 7.77671 5.80572 numMergedOcc 0
57 mol 282 unq 2 iso 1 dist 8.96997 12.2772 9.20119 7.65702 8.3411 6.32603 7.77671 7.52924 10.9015 5.80572 numMergedOcc 0
